CID 20985

Vinyl cyclohexanecarboxylate

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C=COC(=O)C1CCCCC1

InChI

InChI=1S/C9H14O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2,8H,1,3-7H2

InChIKey

JZRGFKQYQJKGAK-UHFFFAOYSA-N

Compound name

ethenyl cyclohexanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5275
Patents: 154.09938 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.106656	133.7
[M+Na]+	177.088598	138.4
[M-H]-	153.092104	136.4
[M+NH4]+	172.133203	154.4
[M+K]+	193.062538	137.5
[M+H-H2O]+	137.096640	128.2
[M+HCOO]-	199.097581	153.8
[M+CH3COO]-	213.113231	174.9
[M+Na-2H]-	175.074046	137.7
[M]+	154.09883142	130.1
[M]-	154.09992858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe